4-[4-(diethylamino)phenyl]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3-thiazol-2-amine

C21H23N3O2S — CID 58910493

IUPAC4-[4-(diethylamino)phenyl]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3-thiazol-2-amine
SMILESCCN(CC)c1ccc(-c2csc(Nc3ccc4c(c3)OCCO4)n2)cc1
InChIInChI=1S/C21H23N3O2S/c1-3-24(4-2)17-8-5-15(6-9-17)18-14-27-21(23-18)22-16-7-10-19-20(13-16)26-12-11-25-19/h5-10,13-14H,3-4,11-12H2,1-2H3,(H,22,23)
InChIKeyXFAFCOADFRNWLJ-UHFFFAOYSA-N
MW381.50 g/mol
LogP5.17
Rot. Bonds6

About 4-[4-(diethylamino)phenyl]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3-thiazol-2-amine

4-[4-(diethylamino)phenyl]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3-thiazol-2-amine (PubChem CID 58910493) has the molecular formula C21H23N3O2S and a molecular weight of 381.50 g/mol. Its IUPAC name is 4-[4-(diethylamino)phenyl]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-[4-(diethylamino)phenyl]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3-thiazol-2-amine
PubChem CID58910493
Molecular FormulaC21H23N3O2S
Molecular Weight381.50 g/mol
Exact Mass381.15
IUPAC Name4-[4-(diethylamino)phenyl]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3-thiazol-2-amine
SMILESCCN(CC)c1ccc(-c2csc(Nc3ccc4c(c3)OCCO4)n2)cc1
InChIInChI=1S/C21H23N3O2S/c1-3-24(4-2)17-8-5-15(6-9-17)18-14-27-21(23-18)22-16-7-10-19-20(13-16)26-12-11-25-19/h5-10,13-14H,3-4,11-12H2,1-2H3,(H,22,23)
InChIKeyXFAFCOADFRNWLJ-UHFFFAOYSA-N
XLogP5.17
TPSA46.62 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500381.50
LogP ≤ 55.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-(diethylamino)-N-[4-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3-thiazol-2-yl]benzamide
CID 4245052
1-N-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-4-N,4-N-diethylbenzene-1,4-diamine;hydrobromide
CID 2877699
N-(3,5-dichlorophenyl)-4-[4-(diethylamino)phenyl]-1,3-thiazol-2-amine
CID 59429719
1-N-[4-[4-(diethylamino)phenyl]-1,3-thiazol-2-yl]-4-N-phenyl-4-N-propan-2-ylbenzene-1,4-diamine
CID 58910581
N,N-diethyl-4-(2-hydrazinyl-1,3-thiazol-4-yl)aniline
CID 7148397
N-(1,3-benzodioxol-5-yl)-4-(4-chloro-3-methylphenyl)-1,3-thiazol-2-amine
CID 84564736
4-[4-(diethylamino)phenyl]-N-naphthalen-1-yl-1,3-thiazol-2-amine
CID 134126798
3-[[4-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3-thiazol-2-yl]amino]benzoic acid
CID 59429737
N-(1,3-benzodioxol-5-yl)-4-(4-piperazin-1-ylphenyl)-1,3-thiazol-2-amine
CID 58911009
4-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-N-(2-methylpropyl)-1,3-thiazol-2-amine
CID 9420029
4-[2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-1,3-thiazol-4-yl]-1-methylcyclohexa-3,5-diene-1,3-diol
CID 163739829
4-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-N-methyl-1,3-thiazol-2-amine
CID 9441746

Frequently Asked Questions

What is the IUPAC name of 4-[4-(diethylamino)phenyl]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3-thiazol-2-amine?
The IUPAC name of 4-[4-(diethylamino)phenyl]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3-thiazol-2-amine (CID 58910493) is 4-[4-(diethylamino)phenyl]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3-thiazol-2-amine.
What is the SMILES notation for 4-[4-(diethylamino)phenyl]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3-thiazol-2-amine?
The canonical SMILES for 4-[4-(diethylamino)phenyl]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3-thiazol-2-amine is CCN(CC)c1ccc(-c2csc(Nc3ccc4c(c3)OCCO4)n2)cc1.
What is the InChIKey of 4-[4-(diethylamino)phenyl]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3-thiazol-2-amine?
The InChIKey is XFAFCOADFRNWLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3O2S/c1-3-24(4-2)17-8-5-15(6-9-17)18-14-27-21(23-18)22-16-7-10-19-20(13-16)26-12-11-25-19/h5-10,13-14H,3-4,11-12H2,1-2H3,(H,22,23).
What are the key properties of 4-[4-(diethylamino)phenyl]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3-thiazol-2-amine?
4-[4-(diethylamino)phenyl]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3-thiazol-2-amine has a molecular weight of 381.50 g/mol, XLogP of 5.17, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(diethylamino)phenyl]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3-thiazol-2-amine is sourced from PubChem (CID 58910493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).